HRID956205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl acetate

C4H8O2

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

HCID67979451

未命名化合物

PRODUCTS

生成物

结构：COC1CCC2(CC1)Cc1ccc(OCCCF)cc1C2=NS(=O)C(C)(C)C

HCID67979469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0fea9eda87d4bf7bcabdbcca5ff0e6d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:23][C:24]([CH3:25])([CH3:26])[S:27](=[O:28])[NH2:29].[CH3:31][CH:32]1[CH2:33][CH2:34][CH2:35][O:36]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][CH2:44][O-:45].[CH3:47][CH2:48][O-:49].[CH3:50][CH2:51][O-:52].[CH3:53][CH2:54][O-:55].[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:20]([cH:21]1)[C:19](=[O:22])[C:11]1([CH2:10]2)[CH2:12][CH2:13][CH:14]([O:17][CH3:18])[CH2:15][CH2:16]1.[OH2:30].[Ti+4:46]>>[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:20]([cH:21]1)[C:19](=[N:29][S:27]([C:24]([CH3:23])([CH3:25])[CH3:26])=[O:28])[C:11]1([CH2:10]2)[CH2:12][CH2:13][CH:14]([O:17][CH3:18])[CH2:15][CH2:16]1